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DOE OSTI · 1202258

Materials Data on NbXeF11 by Materials Project

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Abstract

XeNbF11 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four XeNbF11 ribbons oriented in the (1, 0, 0) direction. Xe is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Xe–F bond distances ranging from 1.97–2.45 Å. Nb is bonded in an octahedral geometry to six F atoms. There are a spread of Nb–F bond distances ranging from 1.88–2.04 Å. There are eight inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Nb atom. In the second F site, F is bonded in a distorted linear geometry to one Xe and one Nb atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom. In the sixth F site, F is bonded in a single-bond geometry to one Nb atom. In the seventh F site, F is bonded in a distorted bent 150 degrees geometry to one Xe and one Nb atom. In the eighth F site, F is bonded in a single-bond geometry to one Nb atom.

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36 MATERIALS SCIENCEcrystal structureF-Nb-XeNbXeF11

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2020-04-29. Materials Data on NbXeF11 by Materials Project. https://doi.org/10.17188/1202258

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36 MATERIALS SCIENCE↗